11-ethyl-2-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0659 |
| Compound Name: | 11-ethyl-2-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 457.64 |
| Molecular Formula: | C28 H31 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCN(C)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4072 |
| logD: | 5.0622 |
| logSw: | -5.2552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.558 |
| InChI Key: | STQOVQPWOMWYEI-UHFFFAOYSA-N |